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Electric quadrupole transitions in carbon dioxide.
Yachmenev, Andrey; Campargue, Alain; Yurchenko, Sergei N; Küpper, Jochen; Tennyson, Jonathan.
Afiliação
  • Yachmenev A; Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany.
  • Campargue A; Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.
  • Yurchenko SN; Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.
  • Küpper J; Center for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestraße 85, 22607 Hamburg, Germany.
  • Tennyson J; Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.
J Chem Phys ; 154(21): 211104, 2021 Jun 07.
Article em En | MEDLINE | ID: mdl-34240963
ABSTRACT
Recent advances in high sensitivity spectroscopy have made it possible, in combination with accurate theoretical predictions, to observe, for the first time, very weak electric quadrupole transitions in a polar polyatomic molecule of water. Here, we present accurate theoretical predictions of the complete quadrupole rovibrational spectrum of a non-polar molecule CO2, important in atmospheric and astrophysical applications. Our predictions are validated by recent cavity enhanced absorption spectroscopy measurements and are used to assign few weak features in the recent ExoMars Atmospheric Chemistry Suite mid-infrared spectroscopic observations of the Martian atmosphere. Predicted quadrupole transitions appear in some of the mid-infrared CO2 and water vapor transparency regions, making them important for detection and characterization of the minor absorbers in water- and CO2-rich environments, such as those present in the atmospheres of Earth, Venus, and Mars.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2021 Tipo de documento: Article